[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

C22H26N2O5 — CID 9329396

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-3-16(2)23-22(27)24-20(25)14-29-21(26)15-28-19-12-8-7-11-18(19)13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H2,23,24,25,27)/t16-/m0/s1
InChIKeyGJQBHFSKQGRPMT-INIZCTEOSA-N
MW398.46 g/mol
LogP2.82
Rot. Bonds9

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 9329396) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
PubChem CID9329396
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-3-16(2)23-22(27)24-20(25)14-29-21(26)15-28-19-12-8-7-11-18(19)13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H2,23,24,25,27)/t16-/m0/s1
InChIKeyGJQBHFSKQGRPMT-INIZCTEOSA-N
XLogP2.82
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789096
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815214
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (CID 9329396) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is CC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is GJQBHFSKQGRPMT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-16(2)23-22(27)24-20(25)14-29-21(26)15-28-19-12-8-7-11-18(19)13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H2,23,24,25,27)/t16-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 398.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 9329396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).